SCHEMBL8329437

SCHEMBL8329437

CCOC(=O)c1ccc(C#Cc2cc3c(cc2F)SC(C)(C)CC3OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
MMP13 P45452 1/20 0.32
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
PRKCA P17252 2/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCD Q05655 1/20 0.31
GAA P10253 1/20 0.30
P2RX3 P56373 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8333199 0.91 KMT2A (0.35) MAPTKMT2ACYP3A4RARARARB
SCHEMBL6591282 0.75 MAPT (0.34) MAPTKMT2ACYP3A4RARARARB
SCHEMBL6589030 0.74 PRKCA (0.39) MAPTKMT2ACYP3A4RARARARB
SCHEMBL7131831 0.69 RARA (0.36) KMT2ACYP3A4RARARARBRARG
SCHEMBL1140980 0.69 RARA (0.39) MAPTKMT2ACYP3A4RARARARB
SCHEMBL6592969 0.68 NPC1 (0.36) MAPTKMT2ACYP3A4RARARARB
SCHEMBL6589888 0.66 RARA (0.46) MAPTKMT2ACYP3A4RARARARB
SCHEMBL727818 0.66 CYP3A4 (0.46) MAPTKMT2ACYP3A4RARARARB
SCHEMBL9180592 0.65 RARA (0.46) KMT2ACYP3A4RARARARBRARG
SCHEMBL9176476 0.65 RARA (0.46) KMT2ACYP3A4RARARARBRARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed